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Papers matching “force fields” 18

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Symmetry-invariant quantum machine learning force fields
2025 New Journal of Physics article Computer Science Quantum Computing Algorithms and Architecture Open access

Isabel Nha Minh Le, Oriel Kiss, Julian Schuhmacher, Ivano Tavernelli, Francesco Tacchino

10

citations
Symmetry-invariant quantum machine learning force fields
2023 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

Isabel Nha Minh Le, Oriel Kiss, Julian Schuhmacher, Ivano Tavernelli, Francesco Tacchino

4

citations
Free energies at QM accuracy from force fields via multimap targeted estimation
2023 Proceedings of the National Academy of Sciences article Computer Science Computational Drug Discovery Methods Open access

Andrea Rizzi, Paolo Carloni, Michele Parrinello

19

citations
Random field-aided tracking of autonomous kinetically passive wireless agents
2020 EURASIP Journal on Advances in Signal Processing article Computer Science Target Tracking and Data Fusion in Sensor Networks Open access

Stephan Schlupkothen, Tim Heidenblut, Gerd Ascheid

2

citations
Four waves of development in Citizen Science: a global to local view of a field in motion
2026 Zenodo (CERN European Organization for Nuclear Research) article Computer Science Research Data Management Practices Open access

M. Gold

0

citations
MolBar: A Molecular Identifier for Inorganic and Organic Molecules with Full Support of Stereoisomerism
2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Nils van Staalduinen, Christoph Bannwarth

3

citations
Synchronization for Networks of Globally Coupled Maps in the Thermodynamic Limit
2022 Journal of Statistical Physics article Computer Science Nonlinear Dynamics and Pattern Formation Open access

Fanni M. Sélley, Matteo Tanzi

5

citations
Advances in predicting ligand binding poses and affinities through multiscale molecular simulations
2025 RWTH Publications (RWTH Aachen) dissertation Computer Science Computational Drug Discovery Methods Open access

Gia Linh Hoang

0

citations
Multimap targeted free energy estimation
2023 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

Andrea Rizzi, Paolo Carloni, Michele Parrinello

3

citations
MULTIMAP TARGETED FREE ENERGY ESTIMATION: A MECHANICAL EMBEDDING QM/MM SCHEME FOR PROTEIN-LIGAND AFFINITIES
2026 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Jacques Gay, Andrea Rizzi, Shina Caroline Lynn Kamerlin, Davide Mandelli, Paolo Carloni

0

citations
Quantum Optimization: Potential, Challenges, and the Path Forward
2023 report Computer Science Quantum Computing Algorithms and Architecture Open access

Amira Abbas, USDOE National Nuclear Security Administration (NNSA), Andris Ambainis, Brandon Augustino, Andreas Bärtschi, Harry Buhrman, +40 more

60

citations
MolBar: A Molecular Identifier for Inorganic and Organic Molecules with Full Support of Stereoisomerism
2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Nils van Staalduinen, Christoph Bannwarth

3

citations
Quantum Computing for High-Energy Physics: State of the Art and Challenges
2024 PRX Quantum article Computer Science Quantum Computing Algorithms and Architecture Open access

Alberto Di Meglio, Karl Jansen, Ivano Tavernelli, Constantia Alexandrou, Srinivasan Arunachalam, C. Bauer, +41 more

213

citations
Quantum Computing for High-Energy Physics: State of the Art and Challenges
2023 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

Alberto Di Meglio, Karl Jansen, Ivano Tavernelli, Constantia Alexandrou, Srinivasan Arunachalam, C. Bauer, +39 more

19

citations
Interim Report NFDI4Chem 2023
2024 Research Ideas and Outcomes article Computer Science Research Data Management Practices Open access

Steffen Neumann, Ann-Christin Andres, Felix Bach, Theo Bender, Christian Bonatto Minella, Franziska Eberl, +13 more

4

citations
Advancing Research Data Management in Universities of Science and Technology
2020 Zenodo (CERN European Organization for Nuclear Research) other Computer Science Research Data Management Practices Open access

Mattias Björnmalm, Federica Cappelluti, Alastair Dunning, Dana Gheorghe, Malgorzata Zofia Goraczek, Daniela Hausen, +6 more

2

citations
FAIR: What Needs to Happen Next?
2026 Zenodo (CERN European Organization for Nuclear Research) report Computer Science Research Data Management Practices Open access

Nawel Lalout, Peter A.C. ’t Hoen, Barend Mons, Anneliene Hechtelt Jonker, Marco Roos, Elizabeth Vroom, +4 more

0

citations
Antonio Vallecillo
2025 Software & Systems Modeling article Computer Science Model-Driven Software Engineering Techniques Open access

Stéphanie Challita, Marsha Chećhik, Benoît Combemale, Hüseyin Ergin, Jeff Gray, Bernhard Rumpe⋆, +1 more

0

citations

18 results